5-(5,6-difluorobenzimidazol-1-yl)pentanehydrazide

C12H14F2N4O — CID 63577412

IUPAC5-(5,6-difluorobenzimidazol-1-yl)pentanehydrazide
SMILESNNC(=O)CCCCn1cnc2cc(F)c(F)cc21
InChIInChI=1S/C12H14F2N4O/c13-8-5-10-11(6-9(8)14)18(7-16-10)4-2-1-3-12(19)17-15/h5-7H,1-4,15H2,(H,17,19)
InChIKeySVVOTBAGBNFDQY-UHFFFAOYSA-N
MW268.27 g/mol
LogP1.47
Rot. Bonds5

About 5-(5,6-difluorobenzimidazol-1-yl)pentanehydrazide

5-(5,6-difluorobenzimidazol-1-yl)pentanehydrazide (PubChem CID 63577412) has the molecular formula C12H14F2N4O and a molecular weight of 268.27 g/mol. Its IUPAC name is 5-(5,6-difluorobenzimidazol-1-yl)pentanehydrazide.

Molecular Properties

Compound Name5-(5,6-difluorobenzimidazol-1-yl)pentanehydrazide
PubChem CID63577412
Molecular FormulaC12H14F2N4O
Molecular Weight268.27 g/mol
Exact Mass268.11
IUPAC Name5-(5,6-difluorobenzimidazol-1-yl)pentanehydrazide
SMILESNNC(=O)CCCCn1cnc2cc(F)c(F)cc21
InChIInChI=1S/C12H14F2N4O/c13-8-5-10-11(6-9(8)14)18(7-16-10)4-2-1-3-12(19)17-15/h5-7H,1-4,15H2,(H,17,19)
InChIKeySVVOTBAGBNFDQY-UHFFFAOYSA-N
XLogP1.47
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.27
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(5,6-difluorobenzimidazol-1-yl)pentanehydrazide?
The IUPAC name of 5-(5,6-difluorobenzimidazol-1-yl)pentanehydrazide (CID 63577412) is 5-(5,6-difluorobenzimidazol-1-yl)pentanehydrazide.
What is the SMILES notation for 5-(5,6-difluorobenzimidazol-1-yl)pentanehydrazide?
The canonical SMILES for 5-(5,6-difluorobenzimidazol-1-yl)pentanehydrazide is NNC(=O)CCCCn1cnc2cc(F)c(F)cc21.
What is the InChIKey of 5-(5,6-difluorobenzimidazol-1-yl)pentanehydrazide?
The InChIKey is SVVOTBAGBNFDQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F2N4O/c13-8-5-10-11(6-9(8)14)18(7-16-10)4-2-1-3-12(19)17-15/h5-7H,1-4,15H2,(H,17,19).
What are the key properties of 5-(5,6-difluorobenzimidazol-1-yl)pentanehydrazide?
5-(5,6-difluorobenzimidazol-1-yl)pentanehydrazide has a molecular weight of 268.27 g/mol, XLogP of 1.47, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5,6-difluorobenzimidazol-1-yl)pentanehydrazide is sourced from PubChem (CID 63577412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).